1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene

C38H34 — CID 142394585

IUPAC1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene
SMILESC/C=C\C(=C/C)c1cccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(CC)c5)c4)c3)c2)c1
InChIInChI=1S/C38H34/c1-4-12-29(6-3)31-15-8-17-33(24-31)35-19-10-21-37(26-35)38-22-11-20-36(27-38)34-18-9-16-32(25-34)30-14-7-13-28(5-2)23-30/h4,6-27H,5H2,1-3H3/b12-4-,29-6+
InChIKeyYQGNSDBWBZMGBD-OTNOFSDDSA-N
MW490.69 g/mol
LogP10.90
Rot. Bonds7

About 1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene

1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene (PubChem CID 142394585) has the molecular formula C38H34 and a molecular weight of 490.69 g/mol. Its IUPAC name is 1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene
PubChem CID142394585
Molecular FormulaC38H34
Molecular Weight490.69 g/mol
Exact Mass490.27
IUPAC Name1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene
SMILESC/C=C\C(=C/C)c1cccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(CC)c5)c4)c3)c2)c1
InChIInChI=1S/C38H34/c1-4-12-29(6-3)31-15-8-17-33(24-31)35-19-10-21-37(26-35)38-22-11-20-36(27-38)34-18-9-16-32(25-34)30-14-7-13-28(5-2)23-30/h4,6-27H,5H2,1-3H3/b12-4-,29-6+
InChIKeyYQGNSDBWBZMGBD-OTNOFSDDSA-N
XLogP10.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene?
The IUPAC name of 1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene (CID 142394585) is 1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene?
The canonical SMILES for 1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene is C/C=C\C(=C/C)c1cccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(CC)c5)c4)c3)c2)c1.
What is the InChIKey of 1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene?
The InChIKey is YQGNSDBWBZMGBD-OTNOFSDDSA-N. The full InChI is InChI=1S/C38H34/c1-4-12-29(6-3)31-15-8-17-33(24-31)35-19-10-21-37(26-35)38-22-11-20-36(27-38)34-18-9-16-32(25-34)30-14-7-13-28(5-2)23-30/h4,6-27H,5H2,1-3H3/b12-4-,29-6+.
What are the key properties of 1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene?
1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene has a molecular weight of 490.69 g/mol, XLogP of 10.90, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene is sourced from PubChem (CID 142394585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).